phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide

C14H14Br2N2Zr — CID 161083184

IUPACphenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide
SMILES[Br-].[Br-].[Zr+4].c1ccc([N-]CC[N-]c2ccccc2)cc1
InChIInChI=1S/C14H14N2.2BrH.Zr/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;;;/h1-10H,11-12H2;2*1H;/q-2;;;+4/p-2
InChIKeyAOBPLMWXGFSXIE-UHFFFAOYSA-L
MW461.31 g/mol
LogP-1.60
Rot. Bonds5

About phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide

phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide (PubChem CID 161083184) has the molecular formula C14H14Br2N2Zr and a molecular weight of 461.31 g/mol. Its IUPAC name is phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide.

Molecular Properties

Compound Namephenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide
PubChem CID161083184
Molecular FormulaC14H14Br2N2Zr
Molecular Weight461.31 g/mol
Exact Mass457.86
IUPAC Namephenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide
SMILES[Br-].[Br-].[Zr+4].c1ccc([N-]CC[N-]c2ccccc2)cc1
InChIInChI=1S/C14H14N2.2BrH.Zr/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;;;/h1-10H,11-12H2;2*1H;/q-2;;;+4/p-2
InChIKeyAOBPLMWXGFSXIE-UHFFFAOYSA-L
XLogP-1.60
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.31
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium phenyl(propyl)azanide
CID 159973083
lithium 2-anilinoethyl(phenyl)azanide
CID 100968930
benzyl(phenyl)azanide;neodymium;hydroiodide
CID 87163763
tris(diphenylazanide);bis(iron(3+));tribromide
CID 173104294
chlorotitanium(1+);diphenylazanide
CID 59831007
CID 6396272
CID 6396272
magnesium bis(diphenylazanide)
CID 15502538
cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide
CID 177430491
hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)
CID 58249962
dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide
CID 59071487
bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)
CID 162298256
tert-butyl(phenyl)azanide
CID 101391554

Frequently Asked Questions

What is the IUPAC name of phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide?
The IUPAC name of phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide (CID 161083184) is phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide.
What is the SMILES notation for phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide?
The canonical SMILES for phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide is [Br-].[Br-].[Zr+4].c1ccc([N-]CC[N-]c2ccccc2)cc1.
What is the InChIKey of phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide?
The InChIKey is AOBPLMWXGFSXIE-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H14N2.2BrH.Zr/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;;;/h1-10H,11-12H2;2*1H;/q-2;;;+4/p-2.
What are the key properties of phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide?
phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide has a molecular weight of 461.31 g/mol, XLogP of -1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide is sourced from PubChem (CID 161083184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).